N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide

C23H22N10O — CID 67127906

IUPACN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1cncnc1
InChIInChI=1S/C23H22N10O/c34-23(17-12-26-15-27-13-17)30-18-10-19(31-20(11-18)32-21-14-25-3-4-28-21)16-1-2-29-22(9-16)33-7-5-24-6-8-33/h1-4,9-15,24H,5-8H2,(H2,28,30,31,32,34)
InChIKeyXPZCISJVLCASJI-UHFFFAOYSA-N
MW454.50 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide

N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide (PubChem CID 67127906) has the molecular formula C23H22N10O and a molecular weight of 454.50 g/mol. Its IUPAC name is N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide
PubChem CID67127906
Molecular FormulaC23H22N10O
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC NameN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1cncnc1
InChIInChI=1S/C23H22N10O/c34-23(17-12-26-15-27-13-17)30-18-10-19(31-20(11-18)32-21-14-25-3-4-28-21)16-1-2-29-22(9-16)33-7-5-24-6-8-33/h1-4,9-15,24H,5-8H2,(H2,28,30,31,32,34)
InChIKeyXPZCISJVLCASJI-UHFFFAOYSA-N
XLogP2.13
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide (CID 67127906) is N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide is O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1cncnc1.
What is the InChIKey of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide?
The InChIKey is XPZCISJVLCASJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N10O/c34-23(17-12-26-15-27-13-17)30-18-10-19(31-20(11-18)32-21-14-25-3-4-28-21)16-1-2-29-22(9-16)33-7-5-24-6-8-33/h1-4,9-15,24H,5-8H2,(H2,28,30,31,32,34).
What are the key properties of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide?
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide has a molecular weight of 454.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 67127906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).